SCHEMBL2687336

SCHEMBL2687336

CC(C)(C)OC(=O)N(NC(=O)c1ccc(CO)cc1)c1ccc(-c2cccs2)cc1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 18/20 0.41
GPR119 Q8TDV5 1/20 0.41
HDAC2 Q92769 2/20 0.41
HPGDS O60760 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL650775 0.88 HDAC1 (0.44) HDAC1GPR119HDAC2
SCHEMBL2685210 0.86 GPR119 (0.43) HDAC1GPR119HDAC2HPGDS
SCHEMBL2134036 0.84 CA2 (0.46) HDAC1GPR119HDAC2
SCHEMBL4669170 0.84 HDAC1 (0.48) HDAC1HPGDS
SCHEMBL4618383 0.83 GPR119 (0.40) HDAC1GPR119HDAC2HPGDS
SCHEMBL1067203 0.81 ABL1 (0.50) HDAC1HDAC2
SCHEMBL449992 0.79 DRD4 (0.36) HDAC1GPR119HDAC2
SCHEMBL449808 0.77 DHPS (0.42) HDAC1GPR119HDAC2
SCHEMBL2137854 0.75 GSK3B (0.43) HDAC1HDAC2
SCHEMBL4579392 0.75 HPGDS (0.46) HDAC1HPGDS

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed
US-8168658-B2 Inhibitors of histone deacetylase MERCK SHARP & DOHME CORP. (US) 2012-05-01 US disclosed
US-20090069250-A1 Inhibitors of Histone Deacetylase MERCK SHARP & DOHME LLC 2009-03-12 US disclosed
US-20090062297-A1 Hydroxyalkylarylamide Derivatives MERCK SHARP & DOHME CORP. 2009-03-05 US disclosed
EP-1973405-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES Merck & Co., Inc. (US) 2008-10-01 EP disclosed
WO-2007087130-A2 HYDROXYALKYLARYLAMIDE DERIVATIVES MERCK & CO., INC. (US) 2007-08-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090069250-A1 Inhibitors of Histone Deacetylase HDAC1, HDAC5, HDAC6 HDAC1 1/4885GPR119 1448/4885HDAC2 4/4885
US-20090062297-A1 Hydroxyalkylarylamide Derivatives AADAC, HDAC5, HDAC3 HDAC1 6/4885GPR119 1522/4885HDAC2 7/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.